4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C10H14N6S — CID 80887003

IUPAC4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC(C)Sc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N6S/c1-3-7(2)17-10-14-8(11)13-9(15-10)16-6-4-5-12-16/h4-7H,3H2,1-2H3,(H2,11,13,14,15)
InChIKeyWVPGESIOLCRGCR-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.53
Rot. Bonds4

About 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80887003) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80887003
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC(C)Sc1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C10H14N6S/c1-3-7(2)17-10-14-8(11)13-9(15-10)16-6-4-5-12-16/h4-7H,3H2,1-2H3,(H2,11,13,14,15)
InChIKeyWVPGESIOLCRGCR-UHFFFAOYSA-N
XLogP1.53
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

3-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]butan-1-ol
CID 80891108
2-butan-2-ylsulfanyl-4-chloro-6-pyrazol-1-yl-1,3,5-triazine
CID 62865603
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
4-butan-2-ylsulfanyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80887918
4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775574
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883733
4-(2-methoxyethylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883957
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]propan-1-ol
CID 104556974
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 112667910
4-(oxetan-3-ylsulfanyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80891024
4-(2-fluorophenyl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80885105
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80778918

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80887003) is 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCC(C)Sc1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is WVPGESIOLCRGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-3-7(2)17-10-14-8(11)13-9(15-10)16-6-4-5-12-16/h4-7H,3H2,1-2H3,(H2,11,13,14,15).
What are the key properties of 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).